CID 200500

O-(3,4,5-trimethoxybenzyl)hydroxylamine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅NO₄

SMILES

COC1=CC(=CC(=C1OC)OC)CON

InChI

InChI=1S/C10H15NO4/c1-12-8-4-7(6-15-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3

InChIKey

XWKUZVURFYMSBF-UHFFFAOYSA-N

Compound name

O-[(3,4,5-trimethoxyphenyl)methyl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 213.10011 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.107386	144.0
[M+Na]+	236.089328	152.7
[M-H]-	212.092834	147.9
[M+NH4]+	231.133933	162.9
[M+K]+	252.063268	152.4
[M+H-H2O]+	196.097370	137.7
[M+HCOO]-	258.098311	169.5
[M+CH3COO]-	272.113961	190.3
[M+Na-2H]-	234.074776	148.9
[M]+	213.09956142	149.5
[M]-	213.10065858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe